SCHEMBL5433876

SCHEMBL5433876

CC(C)(C)c1ccc(C=CC(=O)NC(=N)N)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
TRPV1 Q8NER1 6/20 0.57
TNIK Q9UKE5 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
TP53 P04637 2/20 0.53
HDAC8 Q9BY41 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5433870 1.00 CYP1A2 (0.58) CYP1A2TRPV1TNIKSMN1; SMN2NPC1
SCHEMBL27709648 0.94 TRPV1 (0.63) CYP1A2TRPV1TNIKSMN1; SMN2NPC1
SCHEMBL5432248 0.85 HDAC3 (0.67) CYP1A2HDAC8HDAC1
SCHEMBL5432252 0.85 HDAC3 (0.67) CYP1A2HDAC8HDAC1
SCHEMBL5436010 0.83 TRPV1 (0.52) TRPV1TNIKSMN1; SMN2NPC1RAB9A
SCHEMBL5436012 0.83 TRPV1 (0.52) TRPV1TNIKSMN1; SMN2NPC1RAB9A
SCHEMBL5436036 0.83 SMN1; SMN2 (0.56) CYP1A2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5436039 0.83 SMN1; SMN2 (0.56) CYP1A2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5443370 0.81 LMNA (0.56) SMN1; SMN2NPC1LMNAMAPTPOLB
SCHEMBL5432579 0.81 MAOB (0.59) HDAC8HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617709-B1 Guanidine derivatives as antiviral agents BIOTRON LTD (AU) 2022-11-16 EP claimed
US-10472332-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2019-11-12 US claimed
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2017-09-14 US claimed
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2015-11-05 US claimed
EP-2617709-A1 Guanidine derivatives as antiviral agents Biotron Limited (AU) 2013-07-24 EP claimed
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS GAGE PETER WILLIAM (AU) 2013-02-07 US claimed
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 CN claimed
US-20070099968-A1 Antiviral compounds and methods BIOTRON LIMITED (AU) 2007-05-03 US claimed
EP-1646371-A2 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2006-04-19 EP claimed
WO-2004112687-A2 ANTIVIRAL ACYLGUANIDINE COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2004-12-29 WO claimed
EP-2617709-B1 Guanidine derivatives as antiviral agents BIOTRON LTD (AU) 2022-11-16 EP disclosed
US-11192863-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2021-12-07 US disclosed
US-10472332-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2019-11-12 US disclosed
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2017-09-14 US disclosed
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2015-11-05 US disclosed
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS GAGE PETER WILLIAM (AU) 2013-02-07 US disclosed
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 CN disclosed
US-20070099968-A1 Antiviral compounds and methods BIOTRON LIMITED (AU) 2007-05-03 US disclosed
EP-1646371-A2 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2006-04-19 EP disclosed
WO-2004112687-A2 ANTIVIRAL ACYLGUANIDINE COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2004-12-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11192863-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 CYP1A2 3645/4885TRPV1 4129/4885TNIK 1073/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 CYP1A2 3645/4885TRPV1 4129/4885TNIK 1073/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 CYP1A2 3324/4885TRPV1 4248/4885TNIK 871/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 CYP1A2 3645/4885TRPV1 4129/4885TNIK 1073/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 CYP1A2 3795/4885TRPV1 3858/4885TNIK 804/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 CYP1A2 3795/4885TRPV1 3858/4885TNIK 804/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.